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| CAS No.: | 56621-97-7 |
|---|---|
| Name: | 5-Amino-pyrimidine-2-carboxylicacidamide |
| Molecular Structure: | |
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| Formula: | C5H6N4O |
| Molecular Weight: | 138.129 |
| Synonyms: | 5-Amino-pyrimidine-2-carboxylicacidamide; |
| Density: | 1.426 g/cm3 |
| Boiling Point: | 446.736 °C at 760 mmHg |
| Flash Point: | 223.978 °C |
| PSA: | 94.89000 |
| LogP: | 0.43920 |
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Specification
The CAS register number of 2-Pyrimidinecarboxamide,5-amino- is 56621-97-7. The systematic name about this chemical is 5-aminopyrimidine-2-carboxamide. The molecular formula about this chemical is C5H6N4O and the molecular weight is 138.12734. It belongs to the following product categories which include Amide; Pyrimidine and so on.
Physical properties about 2-Pyrimidinecarboxamide,5-amino- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.392; (4)ACD/KOC (pH 7.4): 3.393; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 94.89Å2; (9)Index of Refraction: 1.656; (10)Molar Refractivity: 35.602 cm3; (11)Molar Volume: 96.862 cm3; (12)Polarizability: 14.114x10-24cm3; (13)Surface Tension: 87.012 dyne/cm; (14)Enthalpy of Vaporization: 70.495 kJ/mol; (15)Boiling Point: 446.736 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)C(=O)N)N
(2)InChI: InChI=1/C5H6N4O/c6-3-1-8-5(4(7)10)9-2-3/h1-2H,6H2,(H2,7,10)
(3)InChIKey: GYPNGGBTDFQAMV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H6N4O/c6-3-1-8-5(4(7)10)9-2-3/h1-2H,6H2,(H2,7,10)
(5)Std. InChIKey: GYPNGGBTDFQAMV-UHFFFAOYSA-N